1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride

C14H30ClN3 — CID 120849001

IUPAC1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride
SMILESCC(C)C1CN(CC2CCNCC2)CCN1C.Cl
InChIInChI=1S/C14H29N3.ClH/c1-12(2)14-11-17(9-8-16(14)3)10-13-4-6-15-7-5-13;/h12-15H,4-11H2,1-3H3;1H
InChIKeyVUGLTVSKHXHUAU-UHFFFAOYSA-N
MW275.87 g/mol
LogP1.68
Rot. Bonds3

About 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride

1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride (PubChem CID 120849001) has the molecular formula C14H30ClN3 and a molecular weight of 275.87 g/mol. Its IUPAC name is 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride
PubChem CID120849001
Molecular FormulaC14H30ClN3
Molecular Weight275.87 g/mol
Exact Mass275.21
IUPAC Name1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride
SMILESCC(C)C1CN(CC2CCNCC2)CCN1C.Cl
InChIInChI=1S/C14H29N3.ClH/c1-12(2)14-11-17(9-8-16(14)3)10-13-4-6-15-7-5-13;/h12-15H,4-11H2,1-3H3;1H
InChIKeyVUGLTVSKHXHUAU-UHFFFAOYSA-N
XLogP1.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.87
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119932458
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine
CID 165136671
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride?
The IUPAC name of 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride (CID 120849001) is 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride is CC(C)C1CN(CC2CCNCC2)CCN1C.Cl.
What is the InChIKey of 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride?
The InChIKey is VUGLTVSKHXHUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.ClH/c1-12(2)14-11-17(9-8-16(14)3)10-13-4-6-15-7-5-13;/h12-15H,4-11H2,1-3H3;1H.
What are the key properties of 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride?
1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride has a molecular weight of 275.87 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride is sourced from PubChem (CID 120849001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).