tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate

C16H30N2O3 — CID 171837901

IUPACtert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C2CCC(O)CC2)C1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)17-12-5-4-10-18(11-12)13-6-8-14(19)9-7-13/h12-14,19H,4-11H2,1-3H3,(H,17,20)/t12-,13?,14?/m1/s1
InChIKeyKUWPZGBYRJYTDV-IYXRBSQSSA-N
MW298.43 g/mol
LogP2.28
Rot. Bonds2

About tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate (PubChem CID 171837901) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
PubChem CID171837901
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C2CCC(O)CC2)C1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)17-12-5-4-10-18(11-12)13-6-8-14(19)9-7-13/h12-14,19H,4-11H2,1-3H3,(H,17,20)/t12-,13?,14?/m1/s1
InChIKeyKUWPZGBYRJYTDV-IYXRBSQSSA-N
XLogP2.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
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CID 124909009
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
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tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate
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tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
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tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
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tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate (CID 171837901) is tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(C2CCC(O)CC2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate?
The InChIKey is KUWPZGBYRJYTDV-IYXRBSQSSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)17-12-5-4-10-18(11-12)13-6-8-14(19)9-7-13/h12-14,19H,4-11H2,1-3H3,(H,17,20)/t12-,13?,14?/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 171837901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).