4-pentoxypiperidine

C10H21NO — CID 43167830

IUPAC4-pentoxypiperidine
SMILESCCCCCOC1CCNCC1
InChIInChI=1S/C10H21NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h10-11H,2-9H2,1H3
InChIKeyVHJZNTFGWYHPSK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds5

About 4-pentoxypiperidine

4-pentoxypiperidine (PubChem CID 43167830) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-pentoxypiperidine.

Molecular Properties

Compound Name4-pentoxypiperidine
PubChem CID43167830
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-pentoxypiperidine
SMILESCCCCCOC1CCNCC1
InChIInChI=1S/C10H21NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h10-11H,2-9H2,1H3
InChIKeyVHJZNTFGWYHPSK-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptoxycyclopropane
CID 54099544
pentadecoxycyclopentane
CID 155570194
1-ethoxy-4-hexoxycyclohexane
CID 147022477
octoxycyclopentane
CID 14691467
5-butoxyazepan-3-one
CID 118248089
1-ethyl-4-hexoxycyclohexane
CID 142019346
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
CID 63869320
4-methyl-3-octoxypiperidine
CID 102954063
1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
butoxycyclobutane
CID 54057236
14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
CID 70427106
N-(cyclopropylmethyl)-6-piperidin-4-yloxyhexan-1-amine
CID 69287990

Frequently Asked Questions

What is the IUPAC name of 4-pentoxypiperidine?
The IUPAC name of 4-pentoxypiperidine (CID 43167830) is 4-pentoxypiperidine.
What is the SMILES notation for 4-pentoxypiperidine?
The canonical SMILES for 4-pentoxypiperidine is CCCCCOC1CCNCC1.
What is the InChIKey of 4-pentoxypiperidine?
The InChIKey is VHJZNTFGWYHPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-pentoxypiperidine?
4-pentoxypiperidine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxypiperidine is sourced from PubChem (CID 43167830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).