3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol

C17H36N2O2 — CID 158867542

IUPAC3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol
SMILESCN1CCC(CCCO)CC1.OCCCC1CCNCC1
InChIInChI=1S/C9H19NO.C8H17NO/c1-10-6-4-9(5-7-10)3-2-8-11;10-7-1-2-8-3-5-9-6-4-8/h9,11H,2-8H2,1H3;8-10H,1-7H2
InChIKeyJBKVNZGMIVZCQP-UHFFFAOYSA-N
MW300.49 g/mol
LogP1.86
Rot. Bonds6

About 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol

3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol (PubChem CID 158867542) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol
PubChem CID158867542
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol
SMILESCN1CCC(CCCO)CC1.OCCCC1CCNCC1
InChIInChI=1S/C9H19NO.C8H17NO/c1-10-6-4-9(5-7-10)3-2-8-11;10-7-1-2-8-3-5-9-6-4-8/h9,11H,2-8H2,1H3;8-10H,1-7H2
InChIKeyJBKVNZGMIVZCQP-UHFFFAOYSA-N
XLogP1.86
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol?
The IUPAC name of 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol (CID 158867542) is 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol is CN1CCC(CCCO)CC1.OCCCC1CCNCC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol?
The InChIKey is JBKVNZGMIVZCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H17NO/c1-10-6-4-9(5-7-10)3-2-8-11;10-7-1-2-8-3-5-9-6-4-8/h9,11H,2-8H2,1H3;8-10H,1-7H2.
What are the key properties of 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol?
3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol has a molecular weight of 300.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)propan-1-ol;3-piperidin-4-ylpropan-1-ol is sourced from PubChem (CID 158867542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).