1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine

C17H23ClN4 — CID 58607056

IUPAC1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine
SMILES[N-]=[N+]=N[C@@H]1CCC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4/c18-15-6-4-13(5-7-15)12-14-8-10-22(11-9-14)17-3-1-2-16(17)20-21-19/h4-7,14,16-17H,1-3,8-12H2/t16-,17+/m1/s1
InChIKeyAJIISAARSGPFQN-SJORKVTESA-N
MW318.85 g/mol
LogP4.83
Rot. Bonds4

About 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine

1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine (PubChem CID 58607056) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine
PubChem CID58607056
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine
SMILES[N-]=[N+]=N[C@@H]1CCC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4/c18-15-6-4-13(5-7-15)12-14-8-10-22(11-9-14)17-3-1-2-16(17)20-21-19/h4-7,14,16-17H,1-3,8-12H2/t16-,17+/m1/s1
InChIKeyAJIISAARSGPFQN-SJORKVTESA-N
XLogP4.83
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
CID 23587488
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
CID 23587608
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
CID 23587527
2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587593
4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 22266311
2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide
CID 22266355
N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide
CID 22266432
3,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587601
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
1-[(2-chlorophenyl)methyl]-3-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 22266289
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea
CID 141069770
3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide
CID 142667565

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine?
The IUPAC name of 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine (CID 58607056) is 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine?
The canonical SMILES for 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine is [N-]=[N+]=N[C@@H]1CCC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine?
The InChIKey is AJIISAARSGPFQN-SJORKVTESA-N. The full InChI is InChI=1S/C17H23ClN4/c18-15-6-4-13(5-7-15)12-14-8-10-22(11-9-14)17-3-1-2-16(17)20-21-19/h4-7,14,16-17H,1-3,8-12H2/t16-,17+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine?
1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine has a molecular weight of 318.85 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-azidocyclopentyl]-4-[(4-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 58607056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).