1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine

C18H28N2 — CID 1203569

IUPAC1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
SMILESc1cc(CN2CCCCC2)ccc1CN1CCCCC1
InChIInChI=1S/C18H28N2/c1-3-11-19(12-4-1)15-17-7-9-18(10-8-17)16-20-13-5-2-6-14-20/h7-10H,1-6,11-16H2
InChIKeyKMCXFMWYRJPFTC-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.66
Rot. Bonds4

About 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine

1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine (PubChem CID 1203569) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
PubChem CID1203569
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
SMILESc1cc(CN2CCCCC2)ccc1CN1CCCCC1
InChIInChI=1S/C18H28N2/c1-3-11-19(12-4-1)15-17-7-9-18(10-8-17)16-20-13-5-2-6-14-20/h7-10H,1-6,11-16H2
InChIKeyKMCXFMWYRJPFTC-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phencyclidine
CID 6468
Cyclizine
CID 6726
Phencyclidine Hydrochloride
CID 9795678
1-Benzylpiperazine
CID 75994
Piperidine, 1-(2-phenylethyl)-
CID 9513
Benzyl triethylammonium chloride
CID 66133
1,4-Dibenzylpiperazine
CID 200601
Tribenzylamine
CID 24321
N-benzyl-N-methyl-1-phenylmethanamine
CID 21583
Myristalkonium ion
CID 8756
Cetalkonium
CID 31203
Benzyldimethyloctylammonium chloride
CID 13740

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine (CID 1203569) is 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine is c1cc(CN2CCCCC2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is KMCXFMWYRJPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-11-19(12-4-1)15-17-7-9-18(10-8-17)16-20-13-5-2-6-14-20/h7-10H,1-6,11-16H2.
What are the key properties of 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 1203569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).