CID 59694689

C13H17N — CID 59694689

IUPAC—
SMILES[CH]C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h1-4,7-8,12H,5-6,9-11H2
InChIKeyOIGJBPUVSOTREV-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.61
Rot. Bonds2

About CID 59694689

CID 59694689 (PubChem CID 59694689) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol.

Molecular Properties

Compound NameCID 59694689
PubChem CID59694689
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name—
SMILES[CH]C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h1-4,7-8,12H,5-6,9-11H2
InChIKeyOIGJBPUVSOTREV-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(3R)-1-benzylazepan-3-ol
CID 124585423
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
1-benzyl-3-prop-1-en-2-ylpiperidine
CID 174380345
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703

Frequently Asked Questions

What is the IUPAC name of CID 59694689?
The IUPAC name of CID 59694689 (CID 59694689) is not available.
What is the SMILES notation for CID 59694689?
The canonical SMILES for CID 59694689 is [CH]C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of CID 59694689?
The InChIKey is OIGJBPUVSOTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h1-4,7-8,12H,5-6,9-11H2.
What are the key properties of CID 59694689?
CID 59694689 has a molecular weight of 187.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694689 is sourced from PubChem (CID 59694689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).