[4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol

C18H30N2O2 — CID 156602328

IUPAC[4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCC(C)Oc1ccccc1CN1CCC(N(C)C)C(CO)C1
InChIInChI=1S/C18H30N2O2/c1-14(2)22-18-8-6-5-7-15(18)11-20-10-9-17(19(3)4)16(12-20)13-21/h5-8,14,16-17,21H,9-13H2,1-4H3
InChIKeyXNBVCKXMOJGJIY-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.22
Rot. Bonds6

About [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol

[4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 156602328) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID156602328
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCC(C)Oc1ccccc1CN1CCC(N(C)C)C(CO)C1
InChIInChI=1S/C18H30N2O2/c1-14(2)22-18-8-6-5-7-15(18)11-20-10-9-17(19(3)4)16(12-20)13-21/h5-8,14,16-17,21H,9-13H2,1-4H3
InChIKeyXNBVCKXMOJGJIY-UHFFFAOYSA-N
XLogP2.22
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol (CID 156602328) is [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol is CC(C)Oc1ccccc1CN1CCC(N(C)C)C(CO)C1.
What is the InChIKey of [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is XNBVCKXMOJGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)22-18-8-6-5-7-15(18)11-20-10-9-17(19(3)4)16(12-20)13-21/h5-8,14,16-17,21H,9-13H2,1-4H3.
What are the key properties of [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol?
[4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 306.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 156602328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).