ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate

C18H41NO3 — CID 143188885

IUPACethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
SMILESCC.CC.CC.CC(C)OC(=O)N1CCC(CCCO)CC1
InChIInChI=1S/C12H23NO3.3C2H6/c1-10(2)16-12(15)13-7-5-11(6-8-13)4-3-9-14;3*1-2/h10-11,14H,3-9H2,1-2H3;3*1-2H3
InChIKeyREJGMHUBTGZBNR-UHFFFAOYSA-N
MW319.53 g/mol
LogP5.09
Rot. Bonds4

About ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate

ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 143188885) has the molecular formula C18H41NO3 and a molecular weight of 319.53 g/mol. Its IUPAC name is ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
PubChem CID143188885
Molecular FormulaC18H41NO3
Molecular Weight319.53 g/mol
Exact Mass319.31
IUPAC Nameethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
SMILESCC.CC.CC.CC(C)OC(=O)N1CCC(CCCO)CC1
InChIInChI=1S/C12H23NO3.3C2H6/c1-10(2)16-12(15)13-7-5-11(6-8-13)4-3-9-14;3*1-2/h10-11,14H,3-9H2,1-2H3;3*1-2H3
InChIKeyREJGMHUBTGZBNR-UHFFFAOYSA-N
XLogP5.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294
propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate
CID 67133661
tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 160709457
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132
bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone
CID 151322497
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
4-[[(3S)-1-propan-2-yloxycarbonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95866884
tert-butyl 4-[5-(1-chloroethoxy)-5-oxopentyl]piperidine-1-carboxylate
CID 68522837

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate (CID 143188885) is ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate is CC.CC.CC.CC(C)OC(=O)N1CCC(CCCO)CC1.
What is the InChIKey of ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is REJGMHUBTGZBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.3C2H6/c1-10(2)16-12(15)13-7-5-11(6-8-13)4-3-9-14;3*1-2/h10-11,14H,3-9H2,1-2H3;3*1-2H3.
What are the key properties of ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate?
ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 319.53 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 143188885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).