1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine

C16H27N3O — CID 163534558

IUPAC1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCNc1ccc(CN2CCC(N(C)C)CC2)cc1OC
InChIInChI=1S/C16H27N3O/c1-17-15-6-5-13(11-16(15)20-4)12-19-9-7-14(8-10-19)18(2)3/h5-6,11,14,17H,7-10,12H2,1-4H3
InChIKeyDVVQPCPLGHDEOC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.26
Rot. Bonds5

About 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 163534558) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID163534558
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCNc1ccc(CN2CCC(N(C)C)CC2)cc1OC
InChIInChI=1S/C16H27N3O/c1-17-15-6-5-13(11-16(15)20-4)12-19-9-7-14(8-10-19)18(2)3/h5-6,11,14,17H,7-10,12H2,1-4H3
InChIKeyDVVQPCPLGHDEOC-UHFFFAOYSA-N
XLogP2.26
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 60969227
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methoxybenzenecarbothioamide
CID 65339067
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 65339321
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
1-(4-ethyl-2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 138531638
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065803
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine (CID 163534558) is 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine is CNc1ccc(CN2CCC(N(C)C)CC2)cc1OC.
What is the InChIKey of 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is DVVQPCPLGHDEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-15-6-5-13(11-16(15)20-4)12-19-9-7-14(8-10-19)18(2)3/h5-6,11,14,17H,7-10,12H2,1-4H3.
What are the key properties of 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 163534558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).