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

C12H24N2O2 — CID 87600676

IUPACN-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide
SMILESO=CNCCCC1CCN(CCCO)CC1
InChIInChI=1S/C12H24N2O2/c15-10-2-7-14-8-4-12(5-9-14)3-1-6-13-11-16/h11-12,15H,1-10H2,(H,13,16)
InChIKeyVUACWFYKFPZHGS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds8

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

N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide (PubChem CID 87600676) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide
PubChem CID87600676
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide
SMILESO=CNCCCC1CCN(CCCO)CC1
InChIInChI=1S/C12H24N2O2/c15-10-2-7-14-8-4-12(5-9-14)3-1-6-13-11-16/h11-12,15H,1-10H2,(H,13,16)
InChIKeyVUACWFYKFPZHGS-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
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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Related Compounds

N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]formamide
CID 87601468
N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
CID 87601203
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid
CID 174404331
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
CID 67282001

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide?
The IUPAC name of N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide (CID 87600676) is N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide.
What is the SMILES notation for N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide?
The canonical SMILES for N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide is O=CNCCCC1CCN(CCCO)CC1.
What is the InChIKey of N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide?
The InChIKey is VUACWFYKFPZHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-10-2-7-14-8-4-12(5-9-14)3-1-6-13-11-16/h11-12,15H,1-10H2,(H,13,16).
What are the key properties of N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide?
N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide is sourced from PubChem (CID 87600676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).