N-methyl-1-(3-piperidin-3-ylphenyl)methanamine

C13H20N2 — CID 116988688

IUPACN-methyl-1-(3-piperidin-3-ylphenyl)methanamine
SMILESCNCc1cccc(C2CCCNC2)c1
InChIInChI=1S/C13H20N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3
InChIKeyTYNRIADRHMKCSQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-1-(3-piperidin-3-ylphenyl)methanamine

N-methyl-1-(3-piperidin-3-ylphenyl)methanamine (PubChem CID 116988688) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-(3-piperidin-3-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-piperidin-3-ylphenyl)methanamine
PubChem CID116988688
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-(3-piperidin-3-ylphenyl)methanamine
SMILESCNCc1cccc(C2CCCNC2)c1
InChIInChI=1S/C13H20N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3
InChIKeyTYNRIADRHMKCSQ-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-piperidin-3-ylphenyl)methyl]cyclopropanamine
CID 116988705
(3-piperidin-3-ylphenyl)methanamine
CID 82603658
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-piperidin-3-ylbenzenethiol
CID 116988736
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-piperidin-3-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-piperidin-3-ylphenyl)methanamine (CID 116988688) is N-methyl-1-(3-piperidin-3-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-piperidin-3-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-piperidin-3-ylphenyl)methanamine is CNCc1cccc(C2CCCNC2)c1.
What is the InChIKey of N-methyl-1-(3-piperidin-3-ylphenyl)methanamine?
The InChIKey is TYNRIADRHMKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3.
What are the key properties of N-methyl-1-(3-piperidin-3-ylphenyl)methanamine?
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-piperidin-3-ylphenyl)methanamine is sourced from PubChem (CID 116988688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).