[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride

C13H22Cl2N2 — CID 75485261

IUPAC[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
SMILESCC1CCCN(c2ccc(CN)cc2)C1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-11-3-2-8-15(10-11)13-6-4-12(9-14)5-7-13;;/h4-7,11H,2-3,8-10,14H2,1H3;2*1H
InChIKeyYWZNVZDAOSSJSF-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.23
Rot. Bonds2

About [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride

[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride (PubChem CID 75485261) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
PubChem CID75485261
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC Name[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
SMILESCC1CCCN(c2ccc(CN)cc2)C1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-11-3-2-8-15(10-11)13-6-4-12(9-14)5-7-13;;/h4-7,11H,2-3,8-10,14H2,1H3;2*1H
InChIKeyYWZNVZDAOSSJSF-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 83854012
N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride
CID 170866745
[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanamine
CID 62987895
4-(3-methylazepan-1-yl)aniline
CID 23103826
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
N'-[4-(3-methylpiperidin-1-yl)phenyl]butane-1,4-diamine
CID 83960848
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278603
[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 166607182

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride (CID 75485261) is [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride is CC1CCCN(c2ccc(CN)cc2)C1.Cl.Cl.
What is the InChIKey of [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is YWZNVZDAOSSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-11-3-2-8-15(10-11)13-6-4-12(9-14)5-7-13;;/h4-7,11H,2-3,8-10,14H2,1H3;2*1H.
What are the key properties of [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 75485261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).