N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine

C20H31ClN2O — CID 45214772

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C1CCOCC1
InChIInChI=1S/C20H31ClN2O/c1-22(20-9-13-24-14-10-20)15-18-3-2-11-23(16-18)12-8-17-4-6-19(21)7-5-17/h4-7,18,20H,2-3,8-16H2,1H3
InChIKeyLWWDRVDJLKIDRX-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.71
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine (PubChem CID 45214772) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine
PubChem CID45214772
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C1CCOCC1
InChIInChI=1S/C20H31ClN2O/c1-22(20-9-13-24-14-10-20)15-18-3-2-11-23(16-18)12-8-17-4-6-19(21)7-5-17/h4-7,18,20H,2-3,8-16H2,1H3
InChIKeyLWWDRVDJLKIDRX-UHFFFAOYSA-N
XLogP3.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine (CID 45214772) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine is CN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C1CCOCC1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine?
The InChIKey is LWWDRVDJLKIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O/c1-22(20-9-13-24-14-10-20)15-18-3-2-11-23(16-18)12-8-17-4-6-19(21)7-5-17/h4-7,18,20H,2-3,8-16H2,1H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine has a molecular weight of 350.93 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 45214772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).