tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate

C14H29N3O4 — CID 171852979

IUPACtert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(C[C@@H](O)CO)CC1
InChIInChI=1S/C14H29N3O4/c1-14(2,3)21-13(20)15-4-5-16-6-8-17(9-7-16)10-12(19)11-18/h12,18-19H,4-11H2,1-3H3,(H,15,20)/t12-/m1/s1
InChIKeyYGGCNROTAFFGCN-GFCCVEGCSA-N
MW303.40 g/mol
LogP-0.52
Rot. Bonds6

About tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate (PubChem CID 171852979) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate
PubChem CID171852979
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Nametert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(C[C@@H](O)CO)CC1
InChIInChI=1S/C14H29N3O4/c1-14(2,3)21-13(20)15-4-5-16-6-8-17(9-7-16)10-12(19)11-18/h12,18-19H,4-11H2,1-3H3,(H,15,20)/t12-/m1/s1
InChIKeyYGGCNROTAFFGCN-GFCCVEGCSA-N
XLogP-0.52
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate (CID 171852979) is tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCN(C[C@@H](O)CO)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate?
The InChIKey is YGGCNROTAFFGCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-14(2,3)21-13(20)15-4-5-16-6-8-17(9-7-16)10-12(19)11-18/h12,18-19H,4-11H2,1-3H3,(H,15,20)/t12-/m1/s1.
What are the key properties of tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate has a molecular weight of 303.40 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 171852979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).