[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol

C17H26N2O2 — CID 61049771

IUPAC[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
SMILESOCC1(NCC2CCCO2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c20-14-17(18-11-16-7-4-10-21-16)8-9-19(13-17)12-15-5-2-1-3-6-15/h1-3,5-6,16,18,20H,4,7-14H2
InChIKeyXXGBIXAFGCSBTM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.39
Rot. Bonds6

About [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol

[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol (PubChem CID 61049771) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
PubChem CID61049771
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
SMILESOCC1(NCC2CCCO2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c20-14-17(18-11-16-7-4-10-21-16)8-9-19(13-17)12-15-5-2-1-3-6-15/h1-3,5-6,16,18,20H,4,7-14H2
InChIKeyXXGBIXAFGCSBTM-UHFFFAOYSA-N
XLogP1.39
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
CID 61047764
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537
(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol
CID 124802517
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
1-(1-benzylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 4768948
1-(1-benzylpyrazol-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389953
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139567

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol (CID 61049771) is [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol is OCC1(NCC2CCCO2)CCN(Cc2ccccc2)C1.
What is the InChIKey of [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol?
The InChIKey is XXGBIXAFGCSBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-14-17(18-11-16-7-4-10-21-16)8-9-19(13-17)12-15-5-2-1-3-6-15/h1-3,5-6,16,18,20H,4,7-14H2.
What are the key properties of [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol?
[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 61049771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).