2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol

C19H40N2O — CID 158003927

IUPAC2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol
SMILESCCCCC1CCCCN1C.CN1CCCCC1CCCO
InChIInChI=1S/C10H21N.C9H19NO/c1-3-4-7-10-8-5-6-9-11(10)2;1-10-7-3-2-5-9(10)6-4-8-11/h10H,3-9H2,1-2H3;9,11H,2-8H2,1H3
InChIKeyFEBDTACRMHGQOB-UHFFFAOYSA-N
MW312.54 g/mol
LogP3.90
Rot. Bonds6

About 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol

2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol (PubChem CID 158003927) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol
PubChem CID158003927
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol
SMILESCCCCC1CCCCN1C.CN1CCCCC1CCCO
InChIInChI=1S/C10H21N.C9H19NO/c1-3-4-7-10-8-5-6-9-11(10)2;1-10-7-3-2-5-9(10)6-4-8-11/h10H,3-9H2,1-2H3;9,11H,2-8H2,1H3
InChIKeyFEBDTACRMHGQOB-UHFFFAOYSA-N
XLogP3.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol?
The IUPAC name of 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol (CID 158003927) is 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol.
What is the SMILES notation for 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol?
The canonical SMILES for 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol is CCCCC1CCCCN1C.CN1CCCCC1CCCO.
What is the InChIKey of 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol?
The InChIKey is FEBDTACRMHGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19NO/c1-3-4-7-10-8-5-6-9-11(10)2;1-10-7-3-2-5-9(10)6-4-8-11/h10H,3-9H2,1-2H3;9,11H,2-8H2,1H3.
What are the key properties of 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol?
2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol has a molecular weight of 312.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpiperidine;3-(1-methylpiperidin-2-yl)propan-1-ol is sourced from PubChem (CID 158003927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).