4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol

C16H26N2O — CID 79536773

IUPAC4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
SMILESCC(CC1CCCCN1)NCCc1ccc(O)cc1
InChIInChI=1S/C16H26N2O/c1-13(12-15-4-2-3-10-18-15)17-11-9-14-5-7-16(19)8-6-14/h5-8,13,15,17-19H,2-4,9-12H2,1H3
InChIKeyGICKHCNDRYWQSM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol

4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol (PubChem CID 79536773) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
PubChem CID79536773
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
SMILESCC(CC1CCCCN1)NCCc1ccc(O)cc1
InChIInChI=1S/C16H26N2O/c1-13(12-15-4-2-3-10-18-15)17-11-9-14-5-7-16(19)8-6-14/h5-8,13,15,17-19H,2-4,9-12H2,1H3
InChIKeyGICKHCNDRYWQSM-UHFFFAOYSA-N
XLogP2.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540548
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79539364
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N-[2-(furan-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540382
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
4-(1-piperidin-2-ylpropan-2-yloxy)phenol
CID 105496690
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol (CID 79536773) is 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol is CC(CC1CCCCN1)NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol?
The InChIKey is GICKHCNDRYWQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(12-15-4-2-3-10-18-15)17-11-9-14-5-7-16(19)8-6-14/h5-8,13,15,17-19H,2-4,9-12H2,1H3.
What are the key properties of 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol?
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 79536773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).