2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane

C21H40N2 — CID 176760588

IUPAC2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(CN1CCC(C(C)(C)C)CC1)C2
InChIInChI=1S/C21H40N2/c1-17(2)23-12-8-21(9-13-23)14-18(15-21)16-22-10-6-19(7-11-22)20(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyLGDOVWRZMLHAHA-UHFFFAOYSA-N
MW320.57 g/mol
LogP4.65
Rot. Bonds3

About 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane

2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 176760588) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID176760588
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(CN1CCC(C(C)(C)C)CC1)C2
InChIInChI=1S/C21H40N2/c1-17(2)23-12-8-21(9-13-23)14-18(15-21)16-22-10-6-19(7-11-22)20(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyLGDOVWRZMLHAHA-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 167091312
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
CID 156551459
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 176760588) is 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CC(CN1CCC(C(C)(C)C)CC1)C2.
What is the InChIKey of 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is LGDOVWRZMLHAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-17(2)23-12-8-21(9-13-23)14-18(15-21)16-22-10-6-19(7-11-22)20(3,4)5/h17-19H,6-16H2,1-5H3.
What are the key properties of 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 320.57 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176760588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).