1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride

C14H27ClN2 — CID 172883218

IUPAC1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(C/C2=C/CCCCCC2)CC1
InChIInChI=1S/C14H26N2.ClH/c15-14-8-10-16(11-9-14)12-13-6-4-2-1-3-5-7-13;/h6,14H,1-5,7-12,15H2;1H/b13-6+;
InChIKeyRBINDUCFRIVAMM-AWFSDRIXSA-N
MW258.84 g/mol
LogP3.11
Rot. Bonds2

About 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride

1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 172883218) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
PubChem CID172883218
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(C/C2=C/CCCCCC2)CC1
InChIInChI=1S/C14H26N2.ClH/c15-14-8-10-16(11-9-14)12-13-6-4-2-1-3-5-7-13;/h6,14H,1-5,7-12,15H2;1H/b13-6+;
InChIKeyRBINDUCFRIVAMM-AWFSDRIXSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride (CID 172883218) is 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride is Cl.NC1CCN(C/C2=C/CCCCCC2)CC1.
What is the InChIKey of 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is RBINDUCFRIVAMM-AWFSDRIXSA-N. The full InChI is InChI=1S/C14H26N2.ClH/c15-14-8-10-16(11-9-14)12-13-6-4-2-1-3-5-7-13;/h6,14H,1-5,7-12,15H2;1H/b13-6+;.
What are the key properties of 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride?
1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 258.84 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 172883218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).