tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate

C14H28N2O2 — CID 99991642

IUPACtert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
SMILESCCC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C14H28N2O2/c1-5-6-12-8-7-11(9-15-12)10-16-13(17)18-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyHWUVXOQVFBHOEH-RYUDHWBXSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate

tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate (PubChem CID 99991642) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
PubChem CID99991642
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
SMILESCCC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C14H28N2O2/c1-5-6-12-8-7-11(9-15-12)10-16-13(17)18-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyHWUVXOQVFBHOEH-RYUDHWBXSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
CID 105422427
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
CID 165444188
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[[(2S,5R)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 66509361
tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
CID 97184307
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate (CID 99991642) is tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate is CCC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1.
What is the InChIKey of tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate?
The InChIKey is HWUVXOQVFBHOEH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-6-12-8-7-11(9-15-12)10-16-13(17)18-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 99991642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).