[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone

C21H32N2O3 — CID 120920469

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCOc1ccc(CCC2CCN(C(=O)C3(CN)CCOCC3)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-25-19-6-4-17(5-7-19)2-3-18-8-12-23(13-9-18)20(24)21(16-22)10-14-26-15-11-21/h4-7,18H,2-3,8-16,22H2,1H3
InChIKeyQIZVPNJBVNUWHQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.62
Rot. Bonds6

About [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 120920469) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID120920469
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCOc1ccc(CCC2CCN(C(=O)C3(CN)CCOCC3)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-25-19-6-4-17(5-7-19)2-3-18-8-12-23(13-9-18)20(24)21(16-22)10-14-26-15-11-21/h4-7,18H,2-3,8-16,22H2,1H3
InChIKeyQIZVPNJBVNUWHQ-UHFFFAOYSA-N
XLogP2.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone (CID 120920469) is [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone is COc1ccc(CCC2CCN(C(=O)C3(CN)CCOCC3)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is QIZVPNJBVNUWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-19-6-4-17(5-7-19)2-3-18-8-12-23(13-9-18)20(24)21(16-22)10-14-26-15-11-21/h4-7,18H,2-3,8-16,22H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 360.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 120920469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).