3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol

C16H26N2O — CID 114499438

IUPAC3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
SMILESCCCNC1CCN(Cc2cccc(O)c2)CC1C
InChIInChI=1S/C16H26N2O/c1-3-8-17-16-7-9-18(11-13(16)2)12-14-5-4-6-15(19)10-14/h4-6,10,13,16-17,19H,3,7-9,11-12H2,1-2H3
InChIKeyPEXOLACCCACTGW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds5

About 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol

3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol (PubChem CID 114499438) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
PubChem CID114499438
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
SMILESCCCNC1CCN(Cc2cccc(O)c2)CC1C
InChIInChI=1S/C16H26N2O/c1-3-8-17-16-7-9-18(11-13(16)2)12-14-5-4-6-15(19)10-14/h4-6,10,13,16-17,19H,3,7-9,11-12H2,1-2H3
InChIKeyPEXOLACCCACTGW-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 54975188
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
1-(furan-2-ylmethyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975277
1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-propylpiperidin-4-amine
CID 62992462
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62845926

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol (CID 114499438) is 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol is CCCNC1CCN(Cc2cccc(O)c2)CC1C.
What is the InChIKey of 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is PEXOLACCCACTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-8-17-16-7-9-18(11-13(16)2)12-14-5-4-6-15(19)10-14/h4-6,10,13,16-17,19H,3,7-9,11-12H2,1-2H3.
What are the key properties of 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol?
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 114499438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).