3-propyl-4-pyrrolidin-1-ylheptan-2-ol

C14H29NO — CID 163745123

IUPAC3-propyl-4-pyrrolidin-1-ylheptan-2-ol
SMILESCCCC(C(C)O)C(CCC)N1CCCC1
InChIInChI=1S/C14H29NO/c1-4-8-13(12(3)16)14(9-5-2)15-10-6-7-11-15/h12-14,16H,4-11H2,1-3H3
InChIKeyLLEDFKHBKLJFFF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds7

About 3-propyl-4-pyrrolidin-1-ylheptan-2-ol

3-propyl-4-pyrrolidin-1-ylheptan-2-ol (PubChem CID 163745123) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-propyl-4-pyrrolidin-1-ylheptan-2-ol.

Molecular Properties

Compound Name3-propyl-4-pyrrolidin-1-ylheptan-2-ol
PubChem CID163745123
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-propyl-4-pyrrolidin-1-ylheptan-2-ol
SMILESCCCC(C(C)O)C(CCC)N1CCCC1
InChIInChI=1S/C14H29NO/c1-4-8-13(12(3)16)14(9-5-2)15-10-6-7-11-15/h12-14,16H,4-11H2,1-3H3
InChIKeyLLEDFKHBKLJFFF-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)propan-2-ol
CID 270601
(S)-1-((S)-1-Methylpyrrolidin-2-yl)propan-2-ol
CID 11029951
(alphaR,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
CID 442642
Pseudohygroline
CID 12310695
(+)-Pseudohygroline
CID 11029949
2-[2-(2-Hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
CID 114339493
1-(1-Methyl-4-isopropyl-2-pyrrolidyl)-3-propanol
CID 129803236
(3R,5S)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995533
(3R,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995536
(3S,5S)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995541
(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995545
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622

Frequently Asked Questions

What is the IUPAC name of 3-propyl-4-pyrrolidin-1-ylheptan-2-ol?
The IUPAC name of 3-propyl-4-pyrrolidin-1-ylheptan-2-ol (CID 163745123) is 3-propyl-4-pyrrolidin-1-ylheptan-2-ol.
What is the SMILES notation for 3-propyl-4-pyrrolidin-1-ylheptan-2-ol?
The canonical SMILES for 3-propyl-4-pyrrolidin-1-ylheptan-2-ol is CCCC(C(C)O)C(CCC)N1CCCC1.
What is the InChIKey of 3-propyl-4-pyrrolidin-1-ylheptan-2-ol?
The InChIKey is LLEDFKHBKLJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-8-13(12(3)16)14(9-5-2)15-10-6-7-11-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-propyl-4-pyrrolidin-1-ylheptan-2-ol?
3-propyl-4-pyrrolidin-1-ylheptan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4-pyrrolidin-1-ylheptan-2-ol is sourced from PubChem (CID 163745123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).