N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

C17H28N2 — CID 55155178

IUPACN-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCC(C)(C)CC1
InChIInChI=1S/C17H28N2/c1-4-18-13-15-7-5-6-8-16(15)14-19-11-9-17(2,3)10-12-19/h5-8,18H,4,9-14H2,1-3H3
InChIKeyKBJWUNIACHKNLY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds5

About N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 55155178) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID55155178
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCC(C)(C)CC1
InChIInChI=1S/C17H28N2/c1-4-18-13-15-7-5-6-8-16(15)14-19-11-9-17(2,3)10-12-19/h5-8,18H,4,9-14H2,1-3H3
InChIKeyKBJWUNIACHKNLY-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine 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

2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62427121
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 79184325
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
CID 174618434
N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906886
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 55155178) is N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN1CCC(C)(C)CC1.
What is the InChIKey of N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is KBJWUNIACHKNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-13-15-7-5-6-8-16(15)14-19-11-9-17(2,3)10-12-19/h5-8,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 55155178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).