benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate

C18H26N2O3 — CID 67294156

IUPACbenzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OCCN2CCCC2)C1
InChIInChI=1S/C18H26N2O3/c21-18(23-15-16-6-2-1-3-7-16)20-11-8-17(14-20)22-13-12-19-9-4-5-10-19/h1-3,6-7,17H,4-5,8-15H2
InChIKeyRUHXTMUDIFEONO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds6

About benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate

benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate (PubChem CID 67294156) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
PubChem CID67294156
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebenzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OCCN2CCCC2)C1
InChIInChI=1S/C18H26N2O3/c21-18(23-15-16-6-2-1-3-7-16)20-11-8-17(14-20)22-13-12-19-9-4-5-10-19/h1-3,6-7,17H,4-5,8-15H2
InChIKeyRUHXTMUDIFEONO-UHFFFAOYSA-N
XLogP2.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperazine-1-carboxylic acid
CID 174208820
benzyl 3-(2-ethoxy-2-oxoethoxy)pyrrolidine-1-carboxylate
CID 175933691
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
1-phenylmethoxycarbonylpyrrolidine-3-carboxylate
CID 74447193
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165
benzyl acetate;benzyl (3S)-3-methoxypyrrolidine-1-carboxylate;methoxycyclopentane;hydrochloride
CID 160916363
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate (CID 67294156) is benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(OCCN2CCCC2)C1.
What is the InChIKey of benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate?
The InChIKey is RUHXTMUDIFEONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(23-15-16-6-2-1-3-7-16)20-11-8-17(14-20)22-13-12-19-9-4-5-10-19/h1-3,6-7,17H,4-5,8-15H2.
What are the key properties of benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate?
benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67294156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).