1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine

C16H33N3 — CID 117020816

IUPAC1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(C2CCNC(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-5-6-9-18-10-12-19(13-11-18)15-7-8-17-16(2,3)14-15/h15,17H,4-14H2,1-3H3
InChIKeyRZJNKSAGNIBPGB-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds5

About 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine

1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine (PubChem CID 117020816) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine
PubChem CID117020816
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(C2CCNC(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-5-6-9-18-10-12-19(13-11-18)15-7-8-17-16(2,3)14-15/h15,17H,4-14H2,1-3H3
InChIKeyRZJNKSAGNIBPGB-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine
CID 117019008
1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine
CID 117020804
methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate
CID 115269382
1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 166118536
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
CID 11641883
1-hexyl-4,4-dimethylpiperidine
CID 18722930
3-cyclopropyl-3-methyl-1-octylpiperazine
CID 64833492
1-tricosylpiperazine
CID 130183651
4-butyl-1-octylpiperidine
CID 171570418
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine?
The IUPAC name of 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine (CID 117020816) is 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine is CCCCCN1CCN(C2CCNC(C)(C)C2)CC1.
What is the InChIKey of 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine?
The InChIKey is RZJNKSAGNIBPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-5-6-9-18-10-12-19(13-11-18)15-7-8-17-16(2,3)14-15/h15,17H,4-14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine?
1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperidin-4-yl)-4-pentylpiperazine is sourced from PubChem (CID 117020816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).