1-methyl-4-(4-piperidin-1-ylbutyl)piperazine

C14H29N3 — CID 54547768

IUPAC1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
SMILESCN1CCN(CCCCN2CCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-15-11-13-17(14-12-15)10-6-5-9-16-7-3-2-4-8-16/h2-14H2,1H3
InChIKeyQNBMIRYFSGKJRU-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.50
Rot. Bonds5

About 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine

1-methyl-4-(4-piperidin-1-ylbutyl)piperazine (PubChem CID 54547768) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
PubChem CID54547768
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
SMILESCN1CCN(CCCCN2CCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-15-11-13-17(14-12-15)10-6-5-9-16-7-3-2-4-8-16/h2-14H2,1H3
InChIKeyQNBMIRYFSGKJRU-UHFFFAOYSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.50
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

1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
1-decylpiperidine
CID 4649960
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
1-tetradecylpiperidine;hydrochloride
CID 71325293
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
CID 162323144
CID 162323144

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine?
The IUPAC name of 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine (CID 54547768) is 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine is CN1CCN(CCCCN2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine?
The InChIKey is QNBMIRYFSGKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-15-11-13-17(14-12-15)10-6-5-9-16-7-3-2-4-8-16/h2-14H2,1H3.
What are the key properties of 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine?
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-piperidin-1-ylbutyl)piperazine is sourced from PubChem (CID 54547768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).