4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride

C14H24Cl2N2O — CID 3015166

IUPAC4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.NCC1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H22N2O.2ClH/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13;;/h1-5,17H,6-12,15H2;2*1H
InChIKeyYBACPPIWOHWVPG-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.86
Rot. Bonds4

About 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride

4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride (PubChem CID 3015166) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride
PubChem CID3015166
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.26 g/mol
Exact Mass306.13
IUPAC Name4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.NCC1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C14H22N2O.2ClH/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13;;/h1-5,17H,6-12,15H2;2*1H
InChIKeyYBACPPIWOHWVPG-UHFFFAOYSA-N
XLogP1.86
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride (CID 3015166) is 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride is Cl.Cl.NCC1(O)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride?
The InChIKey is YBACPPIWOHWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13;;/h1-5,17H,6-12,15H2;2*1H.
What are the key properties of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride?
4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride has a molecular weight of 307.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 3015166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).