1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C14H29N3 — CID 134505376

IUPAC1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(C)(CN2CCNCC2)CC1
InChIInChI=1S/C14H29N3/c1-13(2)17-8-4-14(3,5-9-17)12-16-10-6-15-7-11-16/h13,15H,4-12H2,1-3H3
InChIKeyIHURERYINDEMLB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine

1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 134505376) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID134505376
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(C)(CN2CCNCC2)CC1
InChIInChI=1S/C14H29N3/c1-13(2)17-8-4-14(3,5-9-17)12-16-10-6-15-7-11-16/h13,15H,4-12H2,1-3H3
InChIKeyIHURERYINDEMLB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine 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-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505388
3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 134505389
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755
4-ethyl-4-methyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 55159111
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63123190
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
1-propan-2-ylpiperazine;vanadium
CID 162375922
propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505525

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 134505376) is 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(C)(CN2CCNCC2)CC1.
What is the InChIKey of 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is IHURERYINDEMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(2)17-8-4-14(3,5-9-17)12-16-10-6-15-7-11-16/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 134505376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).