1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine

C18H29N3 — CID 64979645

IUPAC1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine
SMILESCC1CN(C2CCN(Cc3ccccc3)CC2)C(C)CN1
InChIInChI=1S/C18H29N3/c1-15-13-21(16(2)12-19-15)18-8-10-20(11-9-18)14-17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyFASLWRLKEPSYQY-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.33
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine

1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine (PubChem CID 64979645) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine
PubChem CID64979645
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine
SMILESCC1CN(C2CCN(Cc3ccccc3)CC2)C(C)CN1
InChIInChI=1S/C18H29N3/c1-15-13-21(16(2)12-19-15)18-8-10-20(11-9-18)14-17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyFASLWRLKEPSYQY-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
2,5-dimethyl-1-(2-phenylcyclopropyl)piperazine
CID 64936999
2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130871523

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine (CID 64979645) is 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine is CC1CN(C2CCN(Cc3ccccc3)CC2)C(C)CN1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine?
The InChIKey is FASLWRLKEPSYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-13-21(16(2)12-19-15)18-8-10-20(11-9-18)14-17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine?
1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine has a molecular weight of 287.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64979645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).