N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride

C21H29ClN2O — CID 119922484

IUPACN-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-22-15-18-11-13-23(14-12-18)16-19-7-9-21(10-8-19)24-17-20-5-3-2-4-6-20;/h2-10,18,22H,11-17H2,1H3;1H
InChIKeyVPYAAEWZCJZQCR-UHFFFAOYSA-N
MW360.93 g/mol
LogP4.12
Rot. Bonds7

About N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119922484) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119922484
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC NameN-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-22-15-18-11-13-23(14-12-18)16-19-7-9-21(10-8-19)24-17-20-5-3-2-4-6-20;/h2-10,18,22H,11-17H2,1H3;1H
InChIKeyVPYAAEWZCJZQCR-UHFFFAOYSA-N
XLogP4.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119538911
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride (CID 119922484) is N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is VPYAAEWZCJZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.ClH/c1-22-15-18-11-13-23(14-12-18)16-19-7-9-21(10-8-19)24-17-20-5-3-2-4-6-20;/h2-10,18,22H,11-17H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119922484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).