N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine

C17H35N3 — CID 66454712

IUPACN,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-15(18-4)17(2,3)14-19-12-8-16(9-13-19)20-10-6-5-7-11-20/h15-16,18H,5-14H2,1-4H3
InChIKeyLQSCKIPPWXPCLM-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine

N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine (PubChem CID 66454712) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
PubChem CID66454712
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-15(18-4)17(2,3)14-19-12-8-16(9-13-19)20-10-6-5-7-11-20/h15-16,18H,5-14H2,1-4H3
InChIKeyLQSCKIPPWXPCLM-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 66453022
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 79945527
4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 66452767
1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
CID 66453838
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 66453843
1-[2-(bromomethyl)-2-ethylbutyl]-4-piperidin-1-ylpiperidine
CID 65003379
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
CID 61387313
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
(2S)-1,1,1-trifluoro-2-methyl-3-[(4S)-4-pyrrolidin-1-ylazepan-1-yl]propan-2-ol
CID 124732322
2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
CID 107228991

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine (CID 66454712) is N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine is CNC(C)C(C)(C)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
The InChIKey is LQSCKIPPWXPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(18-4)17(2,3)14-19-12-8-16(9-13-19)20-10-6-5-7-11-20/h15-16,18H,5-14H2,1-4H3.
What are the key properties of N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 66454712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).