3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol

C16H26N2O — CID 43206699

IUPAC3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
SMILESCCCN1CCC(NC(C)c2cccc(O)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-9-18-10-7-15(8-11-18)17-13(2)14-5-4-6-16(19)12-14/h4-6,12-13,15,17,19H,3,7-11H2,1-2H3
InChIKeyNKWVFMVPRFYYPG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.92
Rot. Bonds5

About 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol

3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol (PubChem CID 43206699) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
PubChem CID43206699
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
SMILESCCCN1CCC(NC(C)c2cccc(O)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-9-18-10-7-15(8-11-18)17-13(2)14-5-4-6-16(19)12-14/h4-6,12-13,15,17,19H,3,7-11H2,1-2H3
InChIKeyNKWVFMVPRFYYPG-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206713
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol (CID 43206699) is 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol is CCCN1CCC(NC(C)c2cccc(O)c2)CC1.
What is the InChIKey of 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol?
The InChIKey is NKWVFMVPRFYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-18-10-7-15(8-11-18)17-13(2)14-5-4-6-16(19)12-14/h4-6,12-13,15,17,19H,3,7-11H2,1-2H3.
What are the key properties of 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol?
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 43206699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).