1-benzyl-4-(piperidin-4-ylmethoxy)piperidine

C18H28N2O — CID 67802742

IUPAC1-benzyl-4-(piperidin-4-ylmethoxy)piperidine
SMILESc1ccc(CN2CCC(OCC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-4-16(5-3-1)14-20-12-8-18(9-13-20)21-15-17-6-10-19-11-7-17/h1-5,17-19H,6-15H2
InChIKeyCVIMJJSNVQPFBW-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.67
Rot. Bonds5

About 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine

1-benzyl-4-(piperidin-4-ylmethoxy)piperidine (PubChem CID 67802742) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(piperidin-4-ylmethoxy)piperidine
PubChem CID67802742
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-benzyl-4-(piperidin-4-ylmethoxy)piperidine
SMILESc1ccc(CN2CCC(OCC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-4-16(5-3-1)14-20-12-8-18(9-13-20)21-15-17-6-10-19-11-7-17/h1-5,17-19H,6-15H2
InChIKeyCVIMJJSNVQPFBW-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
azane;1-benzylpiperazine
CID 174866973
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
(1-benzylpiperidin-4-yl)methyl 2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylate
CID 67160398
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine?
The IUPAC name of 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine (CID 67802742) is 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine.
What is the SMILES notation for 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine?
The canonical SMILES for 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine is c1ccc(CN2CCC(OCC3CCNCC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine?
The InChIKey is CVIMJJSNVQPFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-4-16(5-3-1)14-20-12-8-18(9-13-20)21-15-17-6-10-19-11-7-17/h1-5,17-19H,6-15H2.
What are the key properties of 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine?
1-benzyl-4-(piperidin-4-ylmethoxy)piperidine has a molecular weight of 288.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(piperidin-4-ylmethoxy)piperidine is sourced from PubChem (CID 67802742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).