N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide

C11H22N2O2 — CID 87600304

IUPACN-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide
SMILESO=CNCCC1CCN(CCCO)CC1
InChIInChI=1S/C11H22N2O2/c14-9-1-6-13-7-3-11(4-8-13)2-5-12-10-15/h10-11,14H,1-9H2,(H,12,15)
InChIKeyJZGPUFCPAOBZOI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds7

About N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide

N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide (PubChem CID 87600304) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide
PubChem CID87600304
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide
SMILESO=CNCCC1CCN(CCCO)CC1
InChIInChI=1S/C11H22N2O2/c14-9-1-6-13-7-3-11(4-8-13)2-5-12-10-15/h10-11,14H,1-9H2,(H,12,15)
InChIKeyJZGPUFCPAOBZOI-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide?
The IUPAC name of N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide (CID 87600304) is N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide?
The canonical SMILES for N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide is O=CNCCC1CCN(CCCO)CC1.
What is the InChIKey of N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide?
The InChIKey is JZGPUFCPAOBZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-9-1-6-13-7-3-11(4-8-13)2-5-12-10-15/h10-11,14H,1-9H2,(H,12,15).
What are the key properties of N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide?
N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide has a molecular weight of 214.31 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-hydroxypropyl)piperidin-4-yl]ethyl]formamide is sourced from PubChem (CID 87600304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).