4-butan-2-yloxypiperidine

C9H19NO — CID 43346315

IUPAC4-butan-2-yloxypiperidine
SMILESCCC(C)OC1CCNCC1
InChIInChI=1S/C9H19NO/c1-3-8(2)11-9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKeySREGPVVWLSESFC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds3

About 4-butan-2-yloxypiperidine

4-butan-2-yloxypiperidine (PubChem CID 43346315) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butan-2-yloxypiperidine.

Molecular Properties

Compound Name4-butan-2-yloxypiperidine
PubChem CID43346315
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butan-2-yloxypiperidine
SMILESCCC(C)OC1CCNCC1
InChIInChI=1S/C9H19NO/c1-3-8(2)11-9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKeySREGPVVWLSESFC-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
4-(2-butan-2-yloxyethyl)piperidine
CID 60902877
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
piperidin-4-yl 2-methylbutanoate
CID 18987401
5-butan-2-yloxybicyclo[2.1.0]pentane
CID 90886717
(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane
CID 134266441
4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine
CID 177031923
4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine
CID 165136951
4-(1-fluoro-2-methylbutyl)piperidine
CID 112563763
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
3-pentan-2-yloxyazetidine
CID 102981936

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxypiperidine?
The IUPAC name of 4-butan-2-yloxypiperidine (CID 43346315) is 4-butan-2-yloxypiperidine.
What is the SMILES notation for 4-butan-2-yloxypiperidine?
The canonical SMILES for 4-butan-2-yloxypiperidine is CCC(C)OC1CCNCC1.
What is the InChIKey of 4-butan-2-yloxypiperidine?
The InChIKey is SREGPVVWLSESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-8(2)11-9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-yloxypiperidine?
4-butan-2-yloxypiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxypiperidine is sourced from PubChem (CID 43346315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).