3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine

C19H29N — CID 134195448

IUPAC3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine
SMILESCC(C)(C)C1CN(CC2CC2)CCC1c1ccccc1
InChIInChI=1S/C19H29N/c1-19(2,3)18-14-20(13-15-9-10-15)12-11-17(18)16-7-5-4-6-8-16/h4-8,15,17-18H,9-14H2,1-3H3
InChIKeyBYAYDXDFNHSZRR-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.55
Rot. Bonds3

About 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine

3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine (PubChem CID 134195448) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine
PubChem CID134195448
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine
SMILESCC(C)(C)C1CN(CC2CC2)CCC1c1ccccc1
InChIInChI=1S/C19H29N/c1-19(2,3)18-14-20(13-15-9-10-15)12-11-17(18)16-7-5-4-6-8-16/h4-8,15,17-18H,9-14H2,1-3H3
InChIKeyBYAYDXDFNHSZRR-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine?
The IUPAC name of 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine (CID 134195448) is 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine.
What is the SMILES notation for 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine?
The canonical SMILES for 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine is CC(C)(C)C1CN(CC2CC2)CCC1c1ccccc1.
What is the InChIKey of 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine?
The InChIKey is BYAYDXDFNHSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2,3)18-14-20(13-15-9-10-15)12-11-17(18)16-7-5-4-6-8-16/h4-8,15,17-18H,9-14H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine?
3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine has a molecular weight of 271.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine is sourced from PubChem (CID 134195448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).