1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine

C17H35N3 — CID 156885357

IUPAC1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CCCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-16(2)15-20-13-11-19(12-14-20)8-4-5-17-6-9-18(3)10-7-17/h16-17H,4-15H2,1-3H3
InChIKeyVJGMEIPOVJERDA-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.38
Rot. Bonds6

About 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine

1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine (PubChem CID 156885357) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
PubChem CID156885357
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CCCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-16(2)15-20-13-11-19(12-14-20)8-4-5-17-6-9-18(3)10-7-17/h16-17H,4-15H2,1-3H3
InChIKeyVJGMEIPOVJERDA-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
CID 170569082
CID 170569082
1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 166946013
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine (CID 156885357) is 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(CCCC2CCN(C)CC2)CC1.
What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
The InChIKey is VJGMEIPOVJERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2)15-20-13-11-19(12-14-20)8-4-5-17-6-9-18(3)10-7-17/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine?
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 156885357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).