4-(2-adamantyl)-1-benzylpiperidine

C22H31N — CID 70791147

IUPAC4-(2-adamantyl)-1-benzylpiperidine
SMILESc1ccc(CN2CCC(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C22H31N/c1-2-4-16(5-3-1)15-23-8-6-19(7-9-23)22-20-11-17-10-18(13-20)14-21(22)12-17/h1-5,17-22H,6-15H2
InChIKeyLNXMYTLJJYHUMK-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.97
Rot. Bonds3

About 4-(2-adamantyl)-1-benzylpiperidine

4-(2-adamantyl)-1-benzylpiperidine (PubChem CID 70791147) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-(2-adamantyl)-1-benzylpiperidine.

Molecular Properties

Compound Name4-(2-adamantyl)-1-benzylpiperidine
PubChem CID70791147
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name4-(2-adamantyl)-1-benzylpiperidine
SMILESc1ccc(CN2CCC(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C22H31N/c1-2-4-16(5-3-1)15-23-8-6-19(7-9-23)22-20-11-17-10-18(13-20)14-21(22)12-17/h1-5,17-22H,6-15H2
InChIKeyLNXMYTLJJYHUMK-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
CID 72714001
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)-4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 11896886
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 173472767
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-1-benzylpiperidine?
The IUPAC name of 4-(2-adamantyl)-1-benzylpiperidine (CID 70791147) is 4-(2-adamantyl)-1-benzylpiperidine.
What is the SMILES notation for 4-(2-adamantyl)-1-benzylpiperidine?
The canonical SMILES for 4-(2-adamantyl)-1-benzylpiperidine is c1ccc(CN2CCC(C3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of 4-(2-adamantyl)-1-benzylpiperidine?
The InChIKey is LNXMYTLJJYHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-2-4-16(5-3-1)15-23-8-6-19(7-9-23)22-20-11-17-10-18(13-20)14-21(22)12-17/h1-5,17-22H,6-15H2.
What are the key properties of 4-(2-adamantyl)-1-benzylpiperidine?
4-(2-adamantyl)-1-benzylpiperidine has a molecular weight of 309.50 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-1-benzylpiperidine is sourced from PubChem (CID 70791147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).