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

C14H29N3 — CID 116829848

IUPAC1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
SMILESCN1CCC(CC(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C14H29N3/c1-14(2,17-10-6-15-7-11-17)12-13-4-8-16(3)9-5-13/h13,15H,4-12H2,1-3H3
InChIKeyVHCRLRTZIKZVJA-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

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

1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine (PubChem CID 116829848) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
PubChem CID116829848
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
SMILESCN1CCC(CC(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C14H29N3/c1-14(2,17-10-6-15-7-11-17)12-13-4-8-16(3)9-5-13/h13,15H,4-12H2,1-3H3
InChIKeyVHCRLRTZIKZVJA-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

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Related Compounds

1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine
CID 116829845
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 167215369
N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
CID 80548187
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79708398
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230110
N-(2-methyl-2-piperazin-1-ylpropyl)cyclopentanamine
CID 80551380
2,4-dimethyl-4-piperazin-1-ylpentan-2-amine
CID 154551256

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine (CID 116829848) is 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine is CN1CCC(CC(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine?
The InChIKey is VHCRLRTZIKZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,17-10-6-15-7-11-17)12-13-4-8-16(3)9-5-13/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine?
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]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-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine is sourced from PubChem (CID 116829848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).