2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane

C14H31N3 — CID 156712071

IUPAC2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
SMILESCC1CNCCN1CC1CCNCC1.CCC
InChIInChI=1S/C11H23N3.C3H8/c1-10-8-13-6-7-14(10)9-11-2-4-12-5-3-11;1-3-2/h10-13H,2-9H2,1H3;3H2,1-2H3
InChIKeyTUDMZCJHJCUAPG-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane

2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane (PubChem CID 156712071) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane.

Molecular Properties

Compound Name2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
PubChem CID156712071
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
SMILESCC1CNCCN1CC1CCNCC1.CCC
InChIInChI=1S/C11H23N3.C3H8/c1-10-8-13-6-7-14(10)9-11-2-4-12-5-3-11;1-3-2/h10-13H,2-9H2,1H3;3H2,1-2H3
InChIKeyTUDMZCJHJCUAPG-UHFFFAOYSA-N
XLogP1.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64931690
2-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
CID 165136775
(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 172731821
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine
CID 174972333
[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine
CID 165449050
(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
CID 130678897
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 82713447
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane?
The IUPAC name of 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane (CID 156712071) is 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane.
What is the SMILES notation for 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane?
The canonical SMILES for 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane is CC1CNCCN1CC1CCNCC1.CCC.
What is the InChIKey of 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane?
The InChIKey is TUDMZCJHJCUAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.C3H8/c1-10-8-13-6-7-14(10)9-11-2-4-12-5-3-11;1-3-2/h10-13H,2-9H2,1H3;3H2,1-2H3.
What are the key properties of 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane?
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane has a molecular weight of 241.42 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane is sourced from PubChem (CID 156712071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).