1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol

C21H28N2O2 — CID 22989280

IUPAC1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
SMILESNCC(O)CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2/c22-15-19(24)16-23-13-11-20(12-14-23)25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,24H,11-16,22H2
InChIKeyJXRFIQFNLWUMTD-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.58
Rot. Bonds7

About 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol

1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol (PubChem CID 22989280) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
PubChem CID22989280
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
SMILESNCC(O)CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2/c22-15-19(24)16-23-13-11-20(12-14-23)25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,24H,11-16,22H2
InChIKeyJXRFIQFNLWUMTD-UHFFFAOYSA-N
XLogP2.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
CID 3025364
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
1-(4-benzhydryloxypiperidin-1-yl)-3-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)propan-2-ol;(E)-but-2-enedioic acid
CID 23000317
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
CID 70366445
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol (CID 22989280) is 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol is NCC(O)CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol?
The InChIKey is JXRFIQFNLWUMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c22-15-19(24)16-23-13-11-20(12-14-23)25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,24H,11-16,22H2.
What are the key properties of 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol?
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol has a molecular weight of 340.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 22989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).