1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine

C20H28N2O — CID 174819320

IUPAC1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
SMILESCOc1cccc(CN2CCCCC2)c1.NCc1ccccc1
InChIInChI=1S/C13H19NO.C7H9N/c1-15-13-7-5-6-12(10-13)11-14-8-3-2-4-9-14;8-6-7-4-2-1-3-5-7/h5-7,10H,2-4,8-9,11H2,1H3;1-5H,6,8H2
InChIKeyAJLCRKFBTZWOPW-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.83
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine

1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine (PubChem CID 174819320) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
PubChem CID174819320
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
SMILESCOc1cccc(CN2CCCCC2)c1.NCc1ccccc1
InChIInChI=1S/C13H19NO.C7H9N/c1-15-13-7-5-6-12(10-13)11-14-8-3-2-4-9-14;8-6-7-4-2-1-3-5-7/h5-7,10H,2-4,8-9,11H2,1H3;1-5H,6,8H2
InChIKeyAJLCRKFBTZWOPW-UHFFFAOYSA-N
XLogP3.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251514
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
5-[(3-methoxyphenyl)methyl]-1,5-diazacycloundecan-2-one
CID 110201407
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine (CID 174819320) is 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine is COc1cccc(CN2CCCCC2)c1.NCc1ccccc1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine?
The InChIKey is AJLCRKFBTZWOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C7H9N/c1-15-13-7-5-6-12(10-13)11-14-8-3-2-4-9-14;8-6-7-4-2-1-3-5-7/h5-7,10H,2-4,8-9,11H2,1H3;1-5H,6,8H2.
What are the key properties of 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine?
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine has a molecular weight of 312.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine is sourced from PubChem (CID 174819320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).