tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate

C19H30N2O4 — CID 102417588

IUPACtert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)21-11-9-20(10-12-21)13-17(22)15-24-14-16-7-5-4-6-8-16/h4-8,17,22H,9-15H2,1-3H3
InChIKeyNURHAFMFSLIZHP-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.12
Rot. Bonds6

About tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate

tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate (PubChem CID 102417588) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
PubChem CID102417588
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nametert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)21-11-9-20(10-12-21)13-17(22)15-24-14-16-7-5-4-6-8-16/h4-8,17,22H,9-15H2,1-3H3
InChIKeyNURHAFMFSLIZHP-UHFFFAOYSA-N
XLogP2.12
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466
tert-butyl 4-(4-hydroxy-5-phenylmethoxypent-1-enyl)piperidine-1-carboxylate
CID 123743477
tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate
CID 67962174
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
tert-butyl 4-[(2S,4R)-4-benzyl-2-hydroxy-5-(2-hydroxypropan-2-ylamino)-5-oxopentyl]piperazine-1-carboxylate
CID 142065820
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate (CID 102417588) is tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
The InChIKey is NURHAFMFSLIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)21-11-9-20(10-12-21)13-17(22)15-24-14-16-7-5-4-6-8-16/h4-8,17,22H,9-15H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 102417588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).