(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone

C13H25N3O — CID 14084840

IUPAC(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-12-4-6-15(7-5-12)13(17)16-10-8-14(2)9-11-16/h12H,3-11H2,1-2H3
InChIKeyBPPBPKULSUGTDN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.48
Rot. Bonds1

About (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone

(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 14084840) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID14084840
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-12-4-6-15(7-5-12)13(17)16-10-8-14(2)9-11-16/h12H,3-11H2,1-2H3
InChIKeyBPPBPKULSUGTDN-UHFFFAOYSA-N
XLogP1.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
CID 176984609
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
1-(4-ethylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 130157704
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
(3-aminopiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 131532864

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone (CID 14084840) is (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone is CCC1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BPPBPKULSUGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-12-4-6-15(7-5-12)13(17)16-10-8-14(2)9-11-16/h12H,3-11H2,1-2H3.
What are the key properties of (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone?
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 14084840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).