1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine

C16H28N2 — CID 135086295

IUPAC1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
SMILESC1=C(N2CCCCC2)[C@@H](N2CCCCC2)CCC1
InChIInChI=1S/C16H28N2/c1-5-11-17(12-6-1)15-9-3-4-10-16(15)18-13-7-2-8-14-18/h9,16H,1-8,10-14H2/t16-/m0/s1
InChIKeyKAHJYGQPVYEQIK-INIZCTEOSA-N
MW248.41 g/mol
LogP3.39
Rot. Bonds2

About 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine

1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine (PubChem CID 135086295) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine.

Molecular Properties

Compound Name1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
PubChem CID135086295
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
SMILESC1=C(N2CCCCC2)[C@@H](N2CCCCC2)CCC1
InChIInChI=1S/C16H28N2/c1-5-11-17(12-6-1)15-9-3-4-10-16(15)18-13-7-2-8-14-18/h9,16H,1-8,10-14H2/t16-/m0/s1
InChIKeyKAHJYGQPVYEQIK-INIZCTEOSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Piperidin-1-ylcyclopent-2-en-1-yl)piperidine
CID 14315932
1-(2-Piperidin-1-ylcyclohex-2-en-1-yl)piperidine
CID 14315940
1-[1-(6-Fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
CID 173009685
1-(1-Cyclohexen-1-yl)-4-methylpiperazine
CID 15363494
1-(3-Pyrrolidin-1-ylcyclopent-2-en-1-yl)-4-aza-1-azoniabicyclo[2.2.2]octane
CID 135045379
1-[(1S)-2-piperidin-1-ylcyclopent-2-en-1-yl]piperidine
CID 135086432
1,4-Di(cyclohexen-1-yl)piperazine
CID 12514864
1,4-Di(cyclohexen-1-yl)-2,5-diethylpiperazine
CID 21547894
1-(5-Ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
CID 139400853
1-Cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine
CID 141053416
7,10-Diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene
CID 163827048
3-(4-Cyclohexa-1,3-dien-1-ylpiperazin-1-yl)cyclohexen-1-amine
CID 164121087

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine?
The IUPAC name of 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine (CID 135086295) is 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine.
What is the SMILES notation for 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine?
The canonical SMILES for 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine is C1=C(N2CCCCC2)[C@@H](N2CCCCC2)CCC1.
What is the InChIKey of 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine?
The InChIKey is KAHJYGQPVYEQIK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-11-17(12-6-1)15-9-3-4-10-16(15)18-13-7-2-8-14-18/h9,16H,1-8,10-14H2/t16-/m0/s1.
What are the key properties of 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine?
1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine has a molecular weight of 248.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine is sourced from PubChem (CID 135086295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).