1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine

C16H32N4 — CID 167265149

IUPAC1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
SMILESCN1CCC(N2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C16H32N4/c1-18-8-4-16(5-9-18)20-12-10-19(11-13-20)14-15-2-6-17-7-3-15/h15-17H,2-14H2,1H3
InChIKeyLRJYVEZGAMJQNS-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.70
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine

1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine (PubChem CID 167265149) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
PubChem CID167265149
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
SMILESCN1CCC(N2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C16H32N4/c1-18-8-4-16(5-9-18)20-12-10-19(11-13-20)14-15-2-6-17-7-3-15/h15-17H,2-14H2,1H3
InChIKeyLRJYVEZGAMJQNS-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780
2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
CID 170022851
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine (CID 167265149) is 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine is CN1CCC(N2CCN(CC3CCNCC3)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine?
The InChIKey is LRJYVEZGAMJQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-18-8-4-16(5-9-18)20-12-10-19(11-13-20)14-15-2-6-17-7-3-15/h15-17H,2-14H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine?
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine has a molecular weight of 280.46 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 167265149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).