[1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C19H34N2O — CID 3148936

IUPAC[1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N2O/c1-16-6-5-11-21(14-16)19(22)18-9-12-20(13-10-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3
InChIKeyHDYKKIADXMYIEQ-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.54
Rot. Bonds3

About [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 3148936) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID3148936
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name[1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N2O/c1-16-6-5-11-21(14-16)19(22)18-9-12-20(13-10-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3
InChIKeyHDYKKIADXMYIEQ-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 3148936) is [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCN(CC3CCCCC3)CC2)C1.
What is the InChIKey of [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HDYKKIADXMYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-16-6-5-11-21(14-16)19(22)18-9-12-20(13-10-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 306.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3148936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).