N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine

C16H27N3 — CID 143792201

IUPACN',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H27N3/c1-19(2)13-12-18-14-16(8-10-17-11-9-16)15-6-4-3-5-7-15/h3-7,17-18H,8-14H2,1-2H3
InChIKeyHPYZIVDXFXWPKR-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.46
Rot. Bonds6

About N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 143792201) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID143792201
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H27N3/c1-19(2)13-12-18-14-16(8-10-17-11-9-16)15-6-4-3-5-7-15/h3-7,17-18H,8-14H2,1-2H3
InChIKeyHPYZIVDXFXWPKR-UHFFFAOYSA-N
XLogP1.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-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-methyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63155191
4-ethyl-4-phenylpiperidine;formamide
CID 143792302
N-ethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63154834
1-(oxolan-3-yl)-N-[(4-phenylpiperidin-4-yl)methyl]methanamine
CID 63155325
1-methyl-4-[(4-phenylpiperidin-4-yl)methyl]-1,4-diazepane
CID 63155146
N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
CID 134421759
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
CID 20978143
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
CID 65003420
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
CID 65004114

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 143792201) is N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine is CN(C)CCNCC1(c2ccccc2)CCNCC1.
What is the InChIKey of N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is HPYZIVDXFXWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(2)13-12-18-14-16(8-10-17-11-9-16)15-6-4-3-5-7-15/h3-7,17-18H,8-14H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 143792201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).