1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine

C19H29NO — CID 159650765

IUPAC1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine
SMILESCC1(C)CC(C2CCN(Cc3ccccc3)CC2)CCO1
InChIInChI=1S/C19H29NO/c1-19(2)14-18(10-13-21-19)17-8-11-20(12-9-17)15-16-6-4-3-5-7-16/h3-7,17-18H,8-15H2,1-2H3
InChIKeyMRNRCJANCDAGEZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.10
Rot. Bonds3

About 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine

1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine (PubChem CID 159650765) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine
PubChem CID159650765
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine
SMILESCC1(C)CC(C2CCN(Cc3ccccc3)CC2)CCO1
InChIInChI=1S/C19H29NO/c1-19(2)14-18(10-13-21-19)17-8-11-20(12-9-17)15-16-6-4-3-5-7-16/h3-7,17-18H,8-15H2,1-2H3
InChIKeyMRNRCJANCDAGEZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 145402953
(1-benzylpiperidin-4-yl)-dimethylazanium
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(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
1-benzyl-N-methylpiperidin-4-amine
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3-benzyl-6,6-dimethyl-1,3-oxazinane
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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 45227693
4-(2-adamantyl)-1-benzylpiperidine
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1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine?
The IUPAC name of 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine (CID 159650765) is 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine is CC1(C)CC(C2CCN(Cc3ccccc3)CC2)CCO1.
What is the InChIKey of 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine?
The InChIKey is MRNRCJANCDAGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2)14-18(10-13-21-19)17-8-11-20(12-9-17)15-16-6-4-3-5-7-16/h3-7,17-18H,8-15H2,1-2H3.
What are the key properties of 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine?
1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine is sourced from PubChem (CID 159650765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).