N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine

C19H33N3 — CID 83960954

IUPACN'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine
SMILESCC1CCCN(Cc2ccc(NCCCCCCN)cc2)C1
InChIInChI=1S/C19H33N3/c1-17-7-6-14-22(15-17)16-18-8-10-19(11-9-18)21-13-5-3-2-4-12-20/h8-11,17,21H,2-7,12-16,20H2,1H3
InChIKeyCRQYVCVHONFYHX-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.85
Rot. Bonds9

About N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine

N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine (PubChem CID 83960954) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine
PubChem CID83960954
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC NameN'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine
SMILESCC1CCCN(Cc2ccc(NCCCCCCN)cc2)C1
InChIInChI=1S/C19H33N3/c1-17-7-6-14-22(15-17)16-18-8-10-19(11-9-18)21-13-5-3-2-4-12-20/h8-11,17,21H,2-7,12-16,20H2,1H3
InChIKeyCRQYVCVHONFYHX-UHFFFAOYSA-N
XLogP3.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine 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

N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]ethanethiol
CID 83960967
4-[(3-methylpiperidin-1-yl)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 83960996
N'-[4-(3-methylpiperidin-1-yl)phenyl]butane-1,4-diamine
CID 83960848
N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 83960979
3-methyl-1-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butane-1,2-diamine
CID 83960955
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
3-[[4-[(3-methylpiperidin-1-yl)methyl]anilino]methyl]aniline
CID 83960991
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
CID 83960901

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine?
The IUPAC name of N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine (CID 83960954) is N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine?
The canonical SMILES for N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine is CC1CCCN(Cc2ccc(NCCCCCCN)cc2)C1.
What is the InChIKey of N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine?
The InChIKey is CRQYVCVHONFYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-17-7-6-14-22(15-17)16-18-8-10-19(11-9-18)21-13-5-3-2-4-12-20/h8-11,17,21H,2-7,12-16,20H2,1H3.
What are the key properties of N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine?
N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine has a molecular weight of 303.49 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine is sourced from PubChem (CID 83960954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).