3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol

C19H31N3O2 — CID 56718846

IUPAC3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol
SMILESCC(CN1CCOCC1)NC1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-16(14-22-9-11-24-12-10-22)20-18-5-7-21(8-6-18)15-17-3-2-4-19(23)13-17/h2-4,13,16,18,20,23H,5-12,14-15H2,1H3
InChIKeyDMQKDCUPNCXGTE-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.67
Rot. Bonds6

About 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol

3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol (PubChem CID 56718846) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol
PubChem CID56718846
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol
SMILESCC(CN1CCOCC1)NC1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-16(14-22-9-11-24-12-10-22)20-18-5-7-21(8-6-18)15-17-3-2-4-19(23)13-17/h2-4,13,16,18,20,23H,5-12,14-15H2,1H3
InChIKeyDMQKDCUPNCXGTE-UHFFFAOYSA-N
XLogP1.67
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol (CID 56718846) is 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol is CC(CN1CCOCC1)NC1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is DMQKDCUPNCXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(14-22-9-11-24-12-10-22)20-18-5-7-21(8-6-18)15-17-3-2-4-19(23)13-17/h2-4,13,16,18,20,23H,5-12,14-15H2,1H3.
What are the key properties of 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol?
3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 333.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-morpholin-4-ylpropan-2-ylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 56718846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).