2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

C14H20ClN3O — CID 124563475

IUPAC2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESOCC[C@H]1C[C@H]1C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-8-16-14(17-9-12)18-4-1-10(2-5-18)13-7-11(13)3-6-19/h8-11,13,19H,1-7H2/t11-,13-/m0/s1
InChIKeyUGPFNMDRKTZYKP-AAEUAGOBSA-N
MW281.79 g/mol
LogP2.36
Rot. Bonds4

About 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (PubChem CID 124563475) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
PubChem CID124563475
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESOCC[C@H]1C[C@H]1C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-8-16-14(17-9-12)18-4-1-10(2-5-18)13-7-11(13)3-6-19/h8-11,13,19H,1-7H2/t11-,13-/m0/s1
InChIKeyUGPFNMDRKTZYKP-AAEUAGOBSA-N
XLogP2.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 126694308
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
CID 89484385
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol;cis-(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carbaldehyde
CID 164988590
5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
CID 123460014
1-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 78097415
N-[5-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-2-pyridinyl]acetamide
CID 50940280
N-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-amine
CID 67778188
1-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 71523293
4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine
CID 143879586
5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 123172795
5-chloro-2-[4-[2-[2-[(1-propan-2-ylsulfanylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 126694034
4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
CID 58128546

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (CID 124563475) is 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is OCC[C@H]1C[C@H]1C1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The InChIKey is UGPFNMDRKTZYKP-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-8-16-14(17-9-12)18-4-1-10(2-5-18)13-7-11(13)3-6-19/h8-11,13,19H,1-7H2/t11-,13-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol has a molecular weight of 281.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is sourced from PubChem (CID 124563475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).