2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C52H116N8O3 — CID 157278878

IUPAC2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

SMILESC.C.C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCNC(=O)C1.CC(C)N1CCOCC1

InChIInChI=1S/C10H21N.C9H18N2O.C8H17N.C7H14N2O.C7H15NO.C7H15N.4CH4/c1-9(2)11-8-6-5-7-10(11,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-8-7(10)5-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;;;;/h9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1H4

InChIKeyAZKSZHAQHOMSBY-UHFFFAOYSA-N

MW901.55 g/mol

LogP9.69

Rot. Bonds6

About 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 157278878) has the molecular formula C52H116N8O3 and a molecular weight of 901.55 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name	2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID	157278878
Molecular Formula	C52H116N8O3
Molecular Weight	901.55 g/mol
Exact Mass	900.92
IUPAC Name	2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILES	C.C.C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCNC(=O)C1.CC(C)N1CCOCC1
InChI	InChI=1S/C10H21N.C9H18N2O.C8H17N.C7H14N2O.C7H15NO.C7H15N.4CH4/c1-9(2)11-8-6-5-7-10(11,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-8-7(10)5-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;;;;/h9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1H4
InChIKey	AZKSZHAQHOMSBY-UHFFFAOYSA-N
XLogP	9.69
TPSA	78.08 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	63
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.55
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 157278878) is 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

What is the SMILES notation for 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The canonical SMILES for 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.C.C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCNC(=O)C1.CC(C)N1CCOCC1.

What is the InChIKey of 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The InChIKey is AZKSZHAQHOMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H18N2O.C8H17N.C7H14N2O.C7H15NO.C7H15N.4CH4/c1-9(2)11-8-6-5-7-10(11,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-8-7(10)5-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;;;;/h9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1H4.

What are the key properties of 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 901.55 g/mol, XLogP of 9.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157278878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).