1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine

C23H35N3 — CID 143263972

IUPAC1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc(CN(CC2CC2)C2CCN(C3[C@@H]4CC[C@H]3CNC4)CC2)cc1
InChIInChI=1S/C23H35N3/c1-2-4-18(5-3-1)16-26(17-19-6-7-19)22-10-12-25(13-11-22)23-20-8-9-21(23)15-24-14-20/h1-5,19-24H,6-17H2/t20-,21+,23?
InChIKeyYLZOXIMWYATLHH-TYABSZSSSA-N
MW353.55 g/mol
LogP3.36
Rot. Bonds6

About 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine

1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 143263972) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID143263972
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc(CN(CC2CC2)C2CCN(C3[C@@H]4CC[C@H]3CNC4)CC2)cc1
InChIInChI=1S/C23H35N3/c1-2-4-18(5-3-1)16-26(17-19-6-7-19)22-10-12-25(13-11-22)23-20-8-9-21(23)15-24-14-20/h1-5,19-24H,6-17H2/t20-,21+,23?
InChIKeyYLZOXIMWYATLHH-TYABSZSSSA-N
XLogP3.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine with MolForge

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Related Compounds

N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
CID 159405748
N,N-dibenzylcyclobutanamine
CID 70822586
2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 77144164
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 158216274
(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 10912863
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclopentanamine
CID 118713781
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
CID 118713779
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
CID 143113276
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
[4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]phenyl]boronic acid
CID 64521021

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine (CID 143263972) is 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine is c1ccc(CN(CC2CC2)C2CCN(C3[C@@H]4CC[C@H]3CNC4)CC2)cc1.
What is the InChIKey of 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is YLZOXIMWYATLHH-TYABSZSSSA-N. The full InChI is InChI=1S/C23H35N3/c1-2-4-18(5-3-1)16-26(17-19-6-7-19)22-10-12-25(13-11-22)23-20-8-9-21(23)15-24-14-20/h1-5,19-24H,6-17H2/t20-,21+,23?.
What are the key properties of 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine?
1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 353.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-N-benzyl-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 143263972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).