1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine

C19H31N3 — CID 83962788

IUPAC1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESc1cc(CN2CCCCC2)ccc1CNCC1CCNCC1
InChIInChI=1S/C19H31N3/c1-2-12-22(13-3-1)16-19-6-4-17(5-7-19)14-21-15-18-8-10-20-11-9-18/h4-7,18,20-21H,1-3,8-16H2
InChIKeyORBPHQIYPWCJCO-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.76
Rot. Bonds6

About 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine

1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine (PubChem CID 83962788) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine
PubChem CID83962788
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESc1cc(CN2CCCCC2)ccc1CNCC1CCNCC1
InChIInChI=1S/C19H31N3/c1-2-12-22(13-3-1)16-19-6-4-17(5-7-19)14-21-15-18-8-10-20-11-9-18/h4-7,18,20-21H,1-3,8-16H2
InChIKeyORBPHQIYPWCJCO-UHFFFAOYSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
CID 146064794
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 82610599
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155518071
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine (CID 83962788) is 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine is c1cc(CN2CCCCC2)ccc1CNCC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is ORBPHQIYPWCJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-2-12-22(13-3-1)16-19-6-4-17(5-7-19)14-21-15-18-8-10-20-11-9-18/h4-7,18,20-21H,1-3,8-16H2.
What are the key properties of 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine?
1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine has a molecular weight of 301.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 83962788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).