3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine

C18H29N3 — CID 69035157

IUPAC3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine
SMILESCC1(C)CN(CC2(c3ccccc3)CCNCC2)CCN1
InChIInChI=1S/C18H29N3/c1-17(2)14-21(13-12-20-17)15-18(8-10-19-11-9-18)16-6-4-3-5-7-16/h3-7,19-20H,8-15H2,1-2H3
InChIKeyRQFQVYMVLOPHQD-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.99
Rot. Bonds3

About 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine

3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine (PubChem CID 69035157) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine
PubChem CID69035157
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine
SMILESCC1(C)CN(CC2(c3ccccc3)CCNCC2)CCN1
InChIInChI=1S/C18H29N3/c1-17(2)14-21(13-12-20-17)15-18(8-10-19-11-9-18)16-6-4-3-5-7-16/h3-7,19-20H,8-15H2,1-2H3
InChIKeyRQFQVYMVLOPHQD-UHFFFAOYSA-N
XLogP1.99
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine (CID 69035157) is 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine is CC1(C)CN(CC2(c3ccccc3)CCNCC2)CCN1.
What is the InChIKey of 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine?
The InChIKey is RQFQVYMVLOPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-17(2)14-21(13-12-20-17)15-18(8-10-19-11-9-18)16-6-4-3-5-7-16/h3-7,19-20H,8-15H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine?
3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine has a molecular weight of 287.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 69035157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).