1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C17H35N3 — CID 166118536

IUPAC1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCCCCCN1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-4-5-6-9-18-12-14-20(15-13-18)17-7-10-19(11-8-17)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyPHJXRZPMTDVLIJ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.67
Rot. Bonds6

About 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 166118536) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID166118536
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCCCCCN1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-4-5-6-9-18-12-14-20(15-13-18)17-7-10-19(11-8-17)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyPHJXRZPMTDVLIJ-UHFFFAOYSA-N
XLogP2.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methyl-2-(2-piperidin-1-ylethyl)piperidine
CID 3246106
1-Methyl-2-[2-(1-piperidinyl)ethyl]piperidine
CID 410260
1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
Piperidinium, 1,1'-((methylimino)diethylene)bis(1-ethyl-, dibromide
CID 3048017
Piperidinium, 1,1'-((methylimino)diethylene)bis(1-methyl-, diiodide
CID 3062530
Piperidinium, 1,1'-((methylimino)diethylene)bis(1-methyl-, dibromide
CID 3066315
1,3-Di-(2-methylpiperidino)propane dihydrochloride
CID 13610535
1'-Isopropyl-1,4'-bipiperidine
CID 766862
Cambridge id 5452134
CID 783765
1'-Ethyl-1,4'-bipiperidine
CID 784001
Piperazine, 1-(1-ethyl-4-piperidinyl)-4-methyl-(9CI)
CID 784238
1'-Methyl-1,4'-bipiperidine
CID 870793

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 166118536) is 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CCCCCN1CCN(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is PHJXRZPMTDVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-5-6-9-18-12-14-20(15-13-18)17-7-10-19(11-8-17)16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 166118536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).