(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol

C19H28N4O2 — CID 95309346

IUPAC(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCn1cc(CN2CCN(C[C@@H](O)COCc3ccccc3)CC2)cn1
InChIInChI=1S/C19H28N4O2/c1-21-12-18(11-20-21)13-22-7-9-23(10-8-22)14-19(24)16-25-15-17-5-3-2-4-6-17/h2-6,11-12,19,24H,7-10,13-16H2,1H3/t19-/m1/s1
InChIKeyRYQNTQJPXHGBTO-LJQANCHMSA-N
MW344.46 g/mol
LogP1.12
Rot. Bonds8

About (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol

(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 95309346) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID95309346
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCn1cc(CN2CCN(C[C@@H](O)COCc3ccccc3)CC2)cn1
InChIInChI=1S/C19H28N4O2/c1-21-12-18(11-20-21)13-22-7-9-23(10-8-22)14-19(24)16-25-15-17-5-3-2-4-6-17/h2-6,11-12,19,24H,7-10,13-16H2,1H3/t19-/m1/s1
InChIKeyRYQNTQJPXHGBTO-LJQANCHMSA-N
XLogP1.12
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol (CID 95309346) is (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol is Cn1cc(CN2CCN(C[C@@H](O)COCc3ccccc3)CC2)cn1.
What is the InChIKey of (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is RYQNTQJPXHGBTO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-12-18(11-20-21)13-22-7-9-23(10-8-22)14-19(24)16-25-15-17-5-3-2-4-6-17/h2-6,11-12,19,24H,7-10,13-16H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 95309346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).