N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine

C16H26N2 — CID 129381793

IUPACN-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)C[C@H]1CCCNC1
InChIInChI=1S/C16H26N2/c1-2-11-18(13-15-7-4-3-5-8-15)14-16-9-6-10-17-12-16/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyACJCBEPQNIHMRH-INIZCTEOSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine

N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine (PubChem CID 129381793) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
PubChem CID129381793
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)C[C@H]1CCCNC1
InChIInChI=1S/C16H26N2/c1-2-11-18(13-15-7-4-3-5-8-15)14-16-9-6-10-17-12-16/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyACJCBEPQNIHMRH-INIZCTEOSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine 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-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640830
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine (CID 129381793) is N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine is CCCN(Cc1ccccc1)C[C@H]1CCCNC1.
What is the InChIKey of N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is ACJCBEPQNIHMRH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-11-18(13-15-7-4-3-5-8-15)14-16-9-6-10-17-12-16/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine?
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 129381793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).