1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride

C12H20Cl2N2O — CID 168974066

IUPAC1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
SMILESCOc1cccc(N2CCCC(N)C2)c1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-15-12-6-2-5-11(8-12)14-7-3-4-10(13)9-14;;/h2,5-6,8,10H,3-4,7,9,13H2,1H3;2*1H
InChIKeyHHJZDNNPVYUBIY-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.47
Rot. Bonds2

About 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride

1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride (PubChem CID 168974066) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
PubChem CID168974066
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
SMILESCOc1cccc(N2CCCC(N)C2)c1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-15-12-6-2-5-11(8-12)14-7-3-4-10(13)9-14;;/h2,5-6,8,10H,3-4,7,9,13H2,1H3;2*1H
InChIKeyHHJZDNNPVYUBIY-UHFFFAOYSA-N
XLogP2.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304
1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine
CID 62698272
1-(3-methoxyphenyl)azepane
CID 57276431
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
CID 122412871
(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 99715384
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride (CID 168974066) is 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride is COc1cccc(N2CCCC(N)C2)c1.Cl.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride?
The InChIKey is HHJZDNNPVYUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.2ClH/c1-15-12-6-2-5-11(8-12)14-7-3-4-10(13)9-14;;/h2,5-6,8,10H,3-4,7,9,13H2,1H3;2*1H.
What are the key properties of 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride?
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride has a molecular weight of 279.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 168974066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).