tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate

C17H26N2O3 — CID 134359003

IUPACtert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNCCC1c1ccc(CO)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-15-10-18-9-8-14(15)13-6-4-12(11-20)5-7-13/h4-7,14-15,18,20H,8-11H2,1-3H3,(H,19,21)/t14?,15-/m0/s1
InChIKeyWOLNKCFWOPOCNW-LOACHALJSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate (PubChem CID 134359003) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate
PubChem CID134359003
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNCCC1c1ccc(CO)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-15-10-18-9-8-14(15)13-6-4-12(11-20)5-7-13/h4-7,14-15,18,20H,8-11H2,1-3H3,(H,19,21)/t14?,15-/m0/s1
InChIKeyWOLNKCFWOPOCNW-LOACHALJSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
CID 122360424
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl 2-[4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]acetate
CID 134350510
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3S,4R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]carbamate
CID 123677655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate (CID 134359003) is tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CNCCC1c1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate?
The InChIKey is WOLNKCFWOPOCNW-LOACHALJSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-15-10-18-9-8-14(15)13-6-4-12(11-20)5-7-13/h4-7,14-15,18,20H,8-11H2,1-3H3,(H,19,21)/t14?,15-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 134359003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).