[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol

C14H20ClN3O — CID 114920295

IUPAC[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol
SMILESOCc1cc(N2CCN(CC3CC3)CC2)ncc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-8-16-14(7-12(13)10-19)18-5-3-17(4-6-18)9-11-1-2-11/h7-8,11,19H,1-6,9-10H2
InChIKeyPLVXIQWPPXMEPB-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.76
Rot. Bonds4

About [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol

[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol (PubChem CID 114920295) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol
PubChem CID114920295
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol
SMILESOCc1cc(N2CCN(CC3CC3)CC2)ncc1Cl
InChIInChI=1S/C14H20ClN3O/c15-13-8-16-14(7-12(13)10-19)18-5-3-17(4-6-18)9-11-1-2-11/h7-8,11,19H,1-6,9-10H2
InChIKeyPLVXIQWPPXMEPB-UHFFFAOYSA-N
XLogP1.76
TPSA39.60 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol (CID 114920295) is [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol is OCc1cc(N2CCN(CC3CC3)CC2)ncc1Cl.
What is the InChIKey of [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol?
The InChIKey is PLVXIQWPPXMEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-8-16-14(7-12(13)10-19)18-5-3-17(4-6-18)9-11-1-2-11/h7-8,11,19H,1-6,9-10H2.
What are the key properties of [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol?
[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol has a molecular weight of 281.79 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 114920295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).