1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine

C18H36N2 — CID 177247678

IUPAC1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)CCCN1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-16(2)5-4-10-20-13-8-18(9-14-20)15-17-6-11-19(3)12-7-17/h16-18H,4-15H2,1-3H3
InChIKeyMOCYIPZNAWXGFJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.87
Rot. Bonds6

About 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine

1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine (PubChem CID 177247678) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
PubChem CID177247678
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)CCCN1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-16(2)5-4-10-20-13-8-18(9-14-20)15-17-6-11-19(3)12-7-17/h16-18H,4-15H2,1-3H3
InChIKeyMOCYIPZNAWXGFJ-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
CID 142528699
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
N-methyl-1-(4-methylpentyl)-N-(2-methylpropyl)piperidin-4-amine
CID 138728385
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine (CID 177247678) is 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine is CC(C)CCCN1CCC(CC2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine?
The InChIKey is MOCYIPZNAWXGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-16(2)5-4-10-20-13-8-18(9-14-20)15-17-6-11-19(3)12-7-17/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine?
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine has a molecular weight of 280.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 177247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).