4-benzyl-1-(2-methylbutan-2-yl)piperidine

C17H27N — CID 70930058

IUPAC4-benzyl-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-4-17(2,3)18-12-10-16(11-13-18)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3
InChIKeyHGIWTYCXMSPGQK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds4

About 4-benzyl-1-(2-methylbutan-2-yl)piperidine

4-benzyl-1-(2-methylbutan-2-yl)piperidine (PubChem CID 70930058) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-benzyl-1-(2-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2-methylbutan-2-yl)piperidine
PubChem CID70930058
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-benzyl-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-4-17(2,3)18-12-10-16(11-13-18)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3
InChIKeyHGIWTYCXMSPGQK-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-methylpiperidine;ethane
CID 142009767
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methoxypiperidine
CID 146666995
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
CID 1430991
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
4-benzyl-1-methylazepane
CID 123177845
butane;cyclopentylmethylbenzene
CID 143522605
1-(4-benzylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62833273

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-methylbutan-2-yl)piperidine?
The IUPAC name of 4-benzyl-1-(2-methylbutan-2-yl)piperidine (CID 70930058) is 4-benzyl-1-(2-methylbutan-2-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2-methylbutan-2-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(2-methylbutan-2-yl)piperidine is CCC(C)(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-methylbutan-2-yl)piperidine?
The InChIKey is HGIWTYCXMSPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-17(2,3)18-12-10-16(11-13-18)14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3.
What are the key properties of 4-benzyl-1-(2-methylbutan-2-yl)piperidine?
4-benzyl-1-(2-methylbutan-2-yl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-methylbutan-2-yl)piperidine is sourced from PubChem (CID 70930058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).