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

C22H30N2 — CID 83962809

IUPAC3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESc1ccc(CCCNCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H30N2/c1-3-8-20(9-4-1)10-7-15-23-18-21-11-13-22(14-12-21)19-24-16-5-2-6-17-24/h1,3-4,8-9,11-14,23H,2,5-7,10,15-19H2
InChIKeyVQGYRRHTDPZYOM-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.39
Rot. Bonds8

About 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine

3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine (PubChem CID 83962809) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
PubChem CID83962809
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESc1ccc(CCCNCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H30N2/c1-3-8-20(9-4-1)10-7-15-23-18-21-11-13-22(14-12-21)19-24-16-5-2-6-17-24/h1,3-4,8-9,11-14,23H,2,5-7,10,15-19H2
InChIKeyVQGYRRHTDPZYOM-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962730
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
1-benzylazepane
CID 10954328
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962726
1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
CID 54429308
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine (CID 83962809) is 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine is c1ccc(CCCNCc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The InChIKey is VQGYRRHTDPZYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-8-20(9-4-1)10-7-15-23-18-21-11-13-22(14-12-21)19-24-16-5-2-6-17-24/h1,3-4,8-9,11-14,23H,2,5-7,10,15-19H2.
What are the key properties of 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine has a molecular weight of 322.50 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 83962809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).