1-methyl-4-(3-piperidin-4-ylpropyl)piperazine

C13H27N3 — CID 15057324

IUPAC1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
SMILESCN1CCN(CCCC2CCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-9-11-16(12-10-15)8-2-3-13-4-6-14-7-5-13/h13-14H,2-12H2,1H3
InChIKeyBVCMUQFVEZNORB-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds4

About 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine

1-methyl-4-(3-piperidin-4-ylpropyl)piperazine (PubChem CID 15057324) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
PubChem CID15057324
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
SMILESCN1CCN(CCCC2CCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-15-9-11-16(12-10-15)8-2-3-13-4-6-14-7-5-13/h13-14H,2-12H2,1H3
InChIKeyBVCMUQFVEZNORB-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520
3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
CID 170569555
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
4-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854
1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine?
The IUPAC name of 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine (CID 15057324) is 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine is CN1CCN(CCCC2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine?
The InChIKey is BVCMUQFVEZNORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-9-11-16(12-10-15)8-2-3-13-4-6-14-7-5-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine?
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-piperidin-4-ylpropyl)piperazine is sourced from PubChem (CID 15057324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).