N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine

C16H26N2 — CID 55069752

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-10-17-13-15-6-8-16(9-7-15)14-18-11-4-3-5-12-18/h6-9,17H,2-5,10-14H2,1H3
InChIKeyAEAZVYVALVUXJF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine (PubChem CID 55069752) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
PubChem CID55069752
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-10-17-13-15-6-8-16(9-7-15)14-18-11-4-3-5-12-18/h6-9,17H,2-5,10-14H2,1H3
InChIKeyAEAZVYVALVUXJF-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(piperidin-1-ylmethyl)phenyl]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

3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63492791
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62420584
3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962726
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 115562146
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butan-1-amine
CID 112722208
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine (CID 55069752) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The InChIKey is AEAZVYVALVUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-10-17-13-15-6-8-16(9-7-15)14-18-11-4-3-5-12-18/h6-9,17H,2-5,10-14H2,1H3.
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 55069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).